SCHEMBL7599442

SCHEMBL7599442

Cc1cccc2c1N(CC(=O)C1CC1)C(=O)[C@H](NC(=O)Nc1cccc(-c3nnn[nH]3)c1)N=C2C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 3/20 0.53
CCKBR P32239 9/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7599440 1.00 CCKAR (0.53) CCKARCCKBR
SCHEMBL7599462 0.91 CCKBR (0.60) CCKARCCKBR
SCHEMBL7547855 0.91 CCKBR (0.60) CCKARCCKBR
SCHEMBL7544906 0.91 CYP3A4 (0.55) CCKARCCKBR
SCHEMBL7544902 0.91 CYP3A4 (0.55) CCKARCCKBR
SCHEMBL7547041 0.90 CCKBR (0.52) CCKARCCKBR
SCHEMBL7547034 0.90 CCKBR (0.52) CCKARCCKBR
SCHEMBL7553620 0.89 CCKBR (0.58) CCKBR
SCHEMBL7553612 0.89 CCKBR (0.58) CCKBR
SCHEMBL7550771 0.87 CCKBR (0.49) CCKBR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-05 US disclosed
US-6291452-B1 CHOLECYSTOKININ ANTAGONISTS. FUJISAWA PHARMACETICAL CO., LTD. (JP) 2001-09-18 US disclosed
EP-0934282-A1 1,4-BENZODIAZEPINONES AND THEIR USES AS CCK ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
WO-1998015535-A1 1,4-BENZODIAZEPINONES AND THEIR USES AS CCK ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 CCKAR 1/4885CCKBR 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.